论文标题
局部非平衡自由能在生物分子描述中的作用
Roles of Local Non-equilibrium Free Energy in the Description of Biomolecules
论文作者
论文摘要
当系统处于平衡状态时，外部扰动会产生一个非平衡分布的时间序列，并且最近的实验技术可访问可能包含关键信息的非平衡数据。 Jinwoo和Tanaka（L. Jinwoo和H. Tanaka，Sci。Rep。2015，5，7832）提供了数学证明，证明此类过程的非平衡性自由能在系统的替代方面具有Jarzynski的工作，这些工作使分子自发地消散了分子的工作，而这些工作会自发地消失了他们的任务。在这里，我们在数字上验证了这一事实，并给出了一个实践示例，其中我们通过环形ATPase电机分析了RNA易位的计算机模拟。通过将底物易位的循环过程解释为一系列淬火，放松和第二次淬火，该理论给出了ATPase Motor的单个子群的数量，直到过程结束为止。事实证明，大多数分子的RNA易位效率为$ 48 \ sim 60 \％$，但是$ 12 \％$的分子达到了$ 80 \ sim 100 \％$ $效率，这与文献一致。该理论将是从实验观察中提取有关分子非平衡行为的定量信息的宝贵工具。
When a system is in equilibrium, external perturbations yield a time series of non-equilibrium distributions, and recent experimental techniques give access to the non-equilibrium data that may contain critical information. Jinwoo and Tanaka (L. Jinwoo and H. Tanaka, Sci. Rep. 2015, 5, 7832) have provided mathematical proof that such a process's non-equilibrium free energy profile over a system's substates has Jarzynski's work as content, which spontaneously dissipates while molecules perform their tasks. Here we numerically verify this fact and give a practical example where we analyze a computer simulation of RNA translocation by a ring-shaped ATPase motor. By interpreting the cyclic process of substrate translocation as a series of quenching, relaxation, and second quenching, the theory gives how much individual sub-states of the ATPase motor have been energized until the end of the process. It turns out that the efficiency of RNA translocation is $48\sim 60\%$ for most molecules, but $12\%$ of molecules achieve $80\sim 100\%$ efficiency, which is consistent with the literature. This theory would be a valuable tool for extracting quantitative information about molecular non-equilibrium behavior from experimental observations.
